Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-9.4745 -0.8030 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0474 0.5463 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9325 0.4897 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7346 -0.1891 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5761 -0.2662 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4303 -0.9486 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2022 -1.1145 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 0.2267 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 1.1410 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2582 0.6480 -0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0827 0.3445 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 1.5741 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 1.4950 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1595 1.0532 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2980 -0.3481 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7055 -0.6331 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7566 -0.4319 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1067 -0.7484 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1732 -1.1130 -0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2641 -0.6347 0.9927 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5425 -0.9645 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8258 -0.1093 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9864 -0.6505 -1.9996 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5395 -0.8521 -1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3306 -1.5752 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8579 -1.1221 -2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9300 1.0706 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6544 1.1081 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3229 -0.1076 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6897 1.5170 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0463 -1.2245 -0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4365 0.3956 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8615 -0.8234 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3023 0.7997 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7848 -1.9513 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2305 -0.3868 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 -1.6575 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4725 -1.7608 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8819 0.1171 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5220 0.7104 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2458 1.2921 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1166 2.1438 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5916 -0.2342 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 1.4423 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1035 -0.5669 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 0.1596 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8618 2.2849 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1764 2.1428 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 0.8179 2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 2.5206 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 1.7102 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0018 1.2889 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1483 -1.0155 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6412 -0.5978 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8824 -0.0814 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7051 -1.7170 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5830 -1.0894 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8357 0.6485 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2122 -0.3301 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4844 -2.0369 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3328 -0.8195 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8974 0.9565 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9128 -1.7167 -2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1913 -0.0234 -2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers